arXiv subjects

Pierre Baldi

Publications and source records attributed to Pierre Baldi.

At least 55 records · Page 3Linked to original sources

arXiv2022

Permutationless Many-Jet Event Reconstruction with Symmetry Preserving Attention Networks

Top quarks, produced in large numbers at the Large Hadron Collider, have a complex detector signature and require special reconstruction techniques. The most common decay mode, the "all-jet" channel, results in a 6-jet final state which is particularly difficult to reconstruct in $pp$ collisions due to the large number of permutations possible. We present a novel approach to this class of problem, based on neural networks using a generalized attention mechanism, that we call Symmetry Preserving Attention Networks (SPA-Net). We train one such network to identify the decay products of each top quark unambiguously and without combinatorial explosion as an example of the power of this technique.This approach significantly outperforms existing state-of-the-art methods, correctly assigning all jets in $93.0%$ of $6$-jet, $87.8%$ of $7$-jet, and $82.6%$ of $\geq 8$-jet events respectively.

hep-ex↗

arXiv2022

Self-Play PSRO: Toward Optimal Populations in Two-Player Zero-Sum Games

In competitive two-agent environments, deep reinforcement learning (RL) methods based on the \emph{Double Oracle (DO)} algorithm, such as \emph{Policy Space Response Oracles (PSRO)} and \emph{Anytime PSRO (APSRO)}, iteratively add RL best response policies to a population. Eventually, an optimal mixture of these population policies will approximate a Nash equilibrium. However, these methods might need to add all deterministic policies before converging. In this work, we introduce \emph{Self-Play PSRO (SP-PSRO)}, a method that adds an approximately optimal stochastic policy to the population in each iteration. Instead of adding only deterministic best responses to the opponent's least exploitable population mixture, SP-PSRO also learns an approximately optimal stochastic policy and adds it to the population as well. As a result, SP-PSRO empirically tends to converge much faster than APSRO and in many games converges in just a few iterations.

cs.GT↗

arXiv2022

Deep Learning Models of the Discrete Component of the Galactic Interstellar Gamma-Ray Emission

A significant point-like component from the small scale (or discrete) structure in the H2 interstellar gas might be present in the Fermi-LAT data, but modeling this emission relies on observations of rare gas tracers only available in limited regions of the sky. Identifying this contribution is important to discriminate gamma-ray point sources from interstellar gas, and to better characterize extended gamma-ray sources. We design and train convolutional neural networks to predict this emission where observations of these rare tracers do not exist and discuss the impact of this component on the analysis of the Fermi-LAT data. In particular, we evaluate prospects to exploit this methodology in the characterization of the Fermi-LAT Galactic center excess through accurate modeling of point-like structures in the data to help distinguish between a point-like or smooth nature for the excess. We show that deep learning may be effectively employed to model the gamma-ray emission traced by these rare H2 proxies within statistical significance in data-rich regions, supporting prospects to employ these methods in yet unobserved regions.

astro-ph.HE↗

arXiv2022

Improved Modeling of the Discrete Component of the Galactic Interstellar Gamma-ray Emission and Implications for the Fermi-LAT Galactic Center Excess

The aim of this work is to improve models for the gamma-ray discrete or small-scale structure related to H2 interstellar gas. Reliably identifying this contribution is important to disentangle gamma-ray point sources from interstellar gas, and to better characterize extended gamma-ray signals. Notably, the Fermi-LAT Galactic center (GC) excess, whose origin remains unclear, might be smooth or point-like. If the data contain a point-like contribution that is not adequately modeled, a smooth GC excess might be erroneously deemed to be point-like. We improve models for the H2-related gamma-ray discrete emission for a $50^\circ \times 1^\circ$ region along the Galactic plane via H2 proxies better suited to trace these features. We find that these are likely to contribute significantly to the gamma-ray Fermi-LAT data in this region, and the brightest ones are likely associated with detected Fermi-LAT sources, a compelling validation of this methodology. We discuss prospects to extend this methodology to other regions of the sky and implications for the characterization of the GC excess.

astro-ph.HE↗

arXiv2022

Deep Learning From Four Vectors

An early example of the ability of deep networks to improve the statistical power of data collected in particle physics experiments was the demonstration that such networks operating on lists of particle momenta (four-vectors) could outperform shallow networks using features engineered with domain knowledge. A benchmark case is described, with extensions to parameterized networks. A discussion of data handling and architecture is presented, as well as a description of how to incorporate physics knowledge into the network architecture.

hep-ex↗

arXiv2022

The Quarks of Attention

Attention plays a fundamental role in both natural and artificial intelligence systems. In deep learning, attention-based neural architectures, such as transformer architectures, are widely used to tackle problems in natural language processing and beyond. Here we investigate the fundamental building blocks of attention and their computational properties. Within the standard model of deep learning, we classify all possible fundamental building blocks of attention in terms of their source, target, and computational mechanism. We identify and study three most important mechanisms: additive activation attention, multiplicative output attention (output gating), and multiplicative synaptic attention (synaptic gating). The gating mechanisms correspond to multiplicative extensions of the standard model and are used across all current attention-based deep learning architectures. We study their functional properties and estimate the capacity of several attentional building blocks in the case of linear and polynomial threshold gates. Surprisingly, additive activation attention plays a central role in the proofs of the lower bounds. Attention mechanisms reduce the depth of certain basic circuits and leverage the power of quadratic activations without incurring their full cost.

cs.LG↗

arXiv2022

XDO: A Double Oracle Algorithm for Extensive-Form Games

Policy Space Response Oracles (PSRO) is a reinforcement learning (RL) algorithm for two-player zero-sum games that has been empirically shown to find approximate Nash equilibria in large games. Although PSRO is guaranteed to converge to an approximate Nash equilibrium and can handle continuous actions, it may take an exponential number of iterations as the number of information states (infostates) grows. We propose Extensive-Form Double Oracle (XDO), an extensive-form double oracle algorithm for two-player zero-sum games that is guaranteed to converge to an approximate Nash equilibrium linearly in the number of infostates. Unlike PSRO, which mixes best responses at the root of the game, XDO mixes best responses at every infostate. We also introduce Neural XDO (NXDO), where the best response is learned through deep RL. In tabular experiments on Leduc poker, we find that XDO achieves an approximate Nash equilibrium in a number of iterations an order of magnitude smaller than PSRO. Experiments on a modified Leduc poker game and Oshi-Zumo show that tabular XDO achieves a lower exploitability than CFR with the same amount of computation. We also find that NXDO outperforms PSRO and NFSP on a sequential multidimensional continuous-action game. NXDO is the first deep RL method that can find an approximate Nash equilibrium in high-dimensional continuous-action sequential games. Experiment code is available at https://github.com/indylab/nxdo.

cs.GT↗

arXiv2022

Anytime PSRO for Two-Player Zero-Sum Games

Policy space response oracles (PSRO) is a multi-agent reinforcement learning algorithm that has achieved state-of-the-art performance in very large two-player zero-sum games. PSRO is based on the tabular double oracle (DO) method, an algorithm that is guaranteed to converge to a Nash equilibrium, but may increase exploitability from one iteration to the next. We propose anytime double oracle (ADO), a tabular double oracle algorithm for 2-player zero-sum games that is guaranteed to converge to a Nash equilibrium while decreasing exploitability from one iteration to the next. Unlike DO, in which the restricted distribution is based on the restricted game formed by each player's strategy sets, ADO finds the restricted distribution for each player that minimizes its exploitability against any policy in the full, unrestricted game. We also propose a method of finding this restricted distribution via a no-regret algorithm updated against best responses, called RM-BR DO. Finally, we propose anytime PSRO (APSRO), a version of ADO that calculates best responses via reinforcement learning. In experiments on Leduc poker and random normal form games, we show that our methods achieve far lower exploitability than DO and PSRO and decrease exploitability monotonically.

cs.GT↗

arXiv2022

Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation

It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations of chemical reactions, or good deep learning architectures that can learn such representations automatically from the data. There is currently no universal and widely adopted method for robustly representing chemical reactions. Most existing methods suffer from one or more drawbacks, such as: (1) lacking universality; (2) lacking robustness; (3) lacking interpretability; or (4) requiring excessive manual pre-processing. Here we exploit graph-based representations of molecular structures to develop and test a hypergraph attention neural network approach to solve at once the reaction representation and property-prediction problems, alleviating the aforementioned drawbacks. We evaluate this hypergraph representation in three experiments using three independent data sets of chemical reactions. In all experiments, the hypergraph-based approach matches or outperforms other representations and their corresponding models of chemical reactions while yielding interpretable multi-level representations.

cs.LG↗

arXiv2021

How to GAN Higher Jet Resolution

QCD-jets at the LHC are described by simple physics principles. We show how super-resolution generative networks can learn the underlying structures and use them to improve the resolution of jet images. We test this approach on massless QCD-jets and on fat top-jets and find that the network reproduces their main features even without training on pure samples. In addition, we show how a slim network architecture can be constructed once we have control of the full network performance.

hep-ph↗

arXiv2021

Learning to Isolate Muons

Distinguishing between prompt muons produced in heavy boson decay and muons produced in association with heavy-flavor jet production is an important task in analysis of collider physics data. We explore whether there is information available in calorimeter deposits that is not captured by the standard approach of isolation cones. We find that convolutional networks and particle-flow networks accessing the calorimeter cells surpass the performance of isolation cones, suggesting that the radial energy distribution and the angular structure of the calorimeter deposits surrounding the muon contain unused discrimination power. We assemble a small set of high-level observables which summarize the calorimeter information and close the performance gap with networks which analyze the calorimeter cells directly. These observables are theoretically well-defined and can be studied with collider data.

physics.data-an↗

arXiv2021

Tourbillon: a Physically Plausible Neural Architecture

In a physical neural system, backpropagation is faced with a number of obstacles including: the need for labeled data, the violation of the locality learning principle, the need for symmetric connections, and the lack of modularity. Tourbillon is a new architecture that addresses all these limitations. At its core, it consists of a stack of circular autoencoders followed by an output layer. The circular autoencoders are trained in self-supervised mode by recirculation algorithms and the top layer in supervised mode by stochastic gradient descent, with the option of propagating error information through the entire stack using non-symmetric connections. While the Tourbillon architecture is meant primarily to address physical constraints, and not to improve current engineering applications of deep learning, we demonstrate its viability on standard benchmark datasets including MNIST, Fashion MNIST, and CIFAR10. We show that Tourbillon can achieve comparable performance to models trained with backpropagation and outperform models that are trained with other physically plausible algorithms, such as feedback alignment.

cs.LG↗

arXiv2021

Improving Social Welfare While Preserving Autonomy via a Pareto Mediator

Machine learning algorithms often make decisions on behalf of agents with varied and sometimes conflicting interests. In domains where agents can choose to take their own action or delegate their action to a central mediator, an open question is how mediators should take actions on behalf of delegating agents. The main existing approach uses delegating agents to punish non-delegating agents in an attempt to get all agents to delegate, which tends to be costly for all. We introduce a Pareto Mediator which aims to improve outcomes for delegating agents without making any of them worse off. Our experiments in random normal form games, a restaurant recommendation game, and a reinforcement learning sequential social dilemma show that the Pareto Mediator greatly increases social welfare. Also, even when the Pareto Mediator is based on an incorrect model of agent utility, performance gracefully degrades to the pre-intervention level, due to the individual autonomy preserved by the voluntary mediator.

cs.GT↗

arXiv2021

Assessing the Potential of Deep Learning for Emulating Cloud Superparameterization in Climate Models with Real-Geography Boundary Conditions

We explore the potential of feed-forward deep neural networks (DNNs) for emulating cloud superparameterization in realistic geography, using offline fits to data from the Super Parameterized Community Atmospheric Model. To identify the network architecture of greatest skill, we formally optimize hyperparameters using ~250 trials. Our DNN explains over 70 percent of the temporal variance at the 15-minute sampling scale throughout the mid-to-upper troposphere. Autocorrelation timescale analysis compared against DNN skill suggests the less good fit in the tropical, marine boundary layer is driven by neural network difficulty emulating fast, stochastic signals in convection. However, spectral analysis in the temporal domain indicates skillful emulation of signals on diurnal to synoptic scales. A close look at the diurnal cycle reveals correct emulation of land-sea contrasts and vertical structure in the heating and moistening fields, but some distortion of precipitation. Sensitivity tests targeting precipitation skill reveal complementary effects of adding positive constraints vs. hyperparameter tuning, motivating the use of both in the future. A first attempt to force an offline land model with DNN emulated atmospheric fields produces reassuring results further supporting neural network emulation viability in real-geography settings. Overall, the fit skill is competitive with recent attempts by sophisticated Residual and Convolutional Neural Network architectures trained on added information, including memory of past states. Our results confirm the parameterizability of superparameterized convection with continents through machine learning and we highlight advantages of casting this problem locally in space and time for accurate emulation and hopefully quick implementation of hybrid climate models.

physics.ao-ph↗

arXiv2021

Real-time reconstruction of intense, ultrafast laser pulses using deep learning

Ultrafast lasers ($< 500$ fs) have enabled laser-matter interactions at intensities exceeding $10^{18} \rm{Wcm}^{-2}$ with only millijoules of laser energy. However, as pulse durations become shorter, larger spectral bandwidths are required. Increasing the bandwidth causes the temporal structure to be increasingly sensitive to spectral phase, yet measuring the spectral phase of a laser pulse is nontrivial. While direct measurements of the spectral phase cannot be done using square-integrable detectors, phase information can be reconstructed by measuring the spectral response of a nonlinear optical effect. We introduce a new deep learning approach using the generalized nonlinear Schrödinger equation and self-phase modulation, a $χ_3$ nonlinearity occurring from material propagation. By training a neural network on numerical simulations of pulses propagating in a known material, the features of spectral change can be use to reconstruct the spectral phase. The technique is also sensitive to the local fluence of the pulse, enabling the full temporal intensity profile to be calculated. We demonstrate our method on a simulated large bandwidth pulse undergoing moderate material dispersion, and an experimentally produced broadband spectrum with substantial material dispersion. Error rates are low, even when modest amounts of noise introduced. With a single plate of glass and an optical spectrometer, single shot phase and fluence measurements are possible in real-time on intense ultrafast laser systems.

physics.optics↗

arXiv2021

Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity

There is a lack of scalable quantitative measures of reactivity for functional groups in organic chemistry. Measuring reactivity experimentally is costly and time-consuming and does not scale to the astronomical size of chemical space. In previous quantum chemistry studies, we have introduced Methyl Cation Affinities (MCA*) and Methyl Anion Affinities (MAA*), using a solvation model, as quantitative measures of reactivity for organic functional groups over the broadest range. Although MCA* and MAA* offer good estimates of reactivity parameters, their calculation through Density Functional Theory (DFT) simulations is time-consuming. To circumvent this problem, we first use DFT to calculate MCA* and MAA* for more than 2,400 organic molecules thereby establishing a large dataset of chemical reactivity scores. We then design deep learning methods to predict the reactivity of molecular structures and train them using this curated dataset in combination with different representations of molecular structures. Using ten-fold cross-validation, we show that graph attention neural networks applied to informative input fingerprints produce the most accurate estimates of reactivity, achieving over 91% test accuracy for predicting the MCA* plus-minus 3.0 or MAA* plus-minus 3.0, over 50 orders of magnitude. Finally, we demonstrate the application of these reactivity scores to two tasks: (1) chemical reaction prediction; (2) combinatorial generation of reaction mechanisms. The curated dataset of MCA* and MAA* scores is available through the ChemDB chemoinformatics web portal at www.cdb.ics.uci.edu.

physics.comp-ph↗

arXiv2021

Safety of Quark/Gluon Jet Classification

The classification of jets as quark- versus gluon-initiated is an important yet challenging task in the analysis of data from high-energy particle collisions and in the search for physics beyond the Standard Model. The recent integration of deep neural networks operating on low-level detector information has resulted in significant improvements in the classification power of quark/gluon jet tagging models. However, the improved power of such models trained on simulated samples has come at the cost of reduced interpretability, raising concerns about their reliability. We elucidate the physics behind quark/gluon jet classification decisions by comparing the performance of networks with and without constraints of infrared and collinear safety, and identify the nature of the unsafe information by revealing the energy and angular dependence of the learned models. This in turn allows us to approximate the performance of the low-level networks (by 99\% or higher) using equivalent sets of interpretable high-level observables, which can be used to probe the fidelity of the simulated samples and define systematic uncertainties.

hep-ph↗

arXiv2021

A theory of capacity and sparse neural encoding

Motivated by biological considerations, we study sparse neural maps from an input layer to a target layer with sparse activity, and specifically the problem of storing $K$ input-target associations $(x,y)$, or memories, when the target vectors $y$ are sparse. We mathematically prove that $K$ undergoes a phase transition and that in general, and somewhat paradoxically, sparsity in the target layers increases the storage capacity of the map. The target vectors can be chosen arbitrarily, including in random fashion, and the memories can be both encoded and decoded by networks trained using local learning rules, including the simple Hebb rule. These results are robust under a variety of statistical assumptions on the data. The proofs rely on elegant properties of random polytopes and sub-gaussian random vector variables. Open problems and connections to capacity theories and polynomial threshold maps are discussed.

cs.LG↗